4-[4-(trifluoromethyl)phenyl]thiadiazole

C9H5F3N2S — CID 608768

IUPAC4-[4-(trifluoromethyl)phenyl]thiadiazole
SMILESFC(F)(F)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H
InChIKeyZPFCZZHVPDIMFF-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.22
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]thiadiazole

4-[4-(trifluoromethyl)phenyl]thiadiazole (PubChem CID 608768) has the molecular formula C9H5F3N2S and a molecular weight of 230.21 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]thiadiazole
PubChem CID608768
Molecular FormulaC9H5F3N2S
Molecular Weight230.21 g/mol
Exact Mass230.01
IUPAC Name4-[4-(trifluoromethyl)phenyl]thiadiazole
SMILESFC(F)(F)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H
InChIKeyZPFCZZHVPDIMFF-UHFFFAOYSA-N
XLogP3.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]thiadiazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]thiadiazole (CID 608768) is 4-[4-(trifluoromethyl)phenyl]thiadiazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]thiadiazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]thiadiazole is FC(F)(F)c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]thiadiazole?
The InChIKey is ZPFCZZHVPDIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S/c10-9(11,12)7-3-1-6(2-4-7)8-5-15-14-13-8/h1-5H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]thiadiazole?
4-[4-(trifluoromethyl)phenyl]thiadiazole has a molecular weight of 230.21 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]thiadiazole is sourced from PubChem (CID 608768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).